Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C19H18NO2P.2C18H15P.2Cu.2HI/c1-21-15-6-10-17(11-7-15)23(19-5-3-4-14-20-19)18-12-8-16(22-2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2
SMILES c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.COc1ccc(cc1)P(c1ccccn1)c1ccc(cc1)OC.[Cu]I.[Cu]I
InChI Key QBWMZJNOWFLDPR-UHFFFAOYSA-L
Molecular Formula C55H48Cu2I2NO2P3
Exact Mass 1228.797 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QBWMZJNOWFLDPR-UHFFFAOYSA-L/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QBWMZJNOWFLDPR-UHFFFAOYSA-L/CHMO0000470
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:06:51.035127
MetadataModified 2024-09-07T19:13:11.120792
MetadataPublished 2020-10-29
Related Molecule
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
154733612 PubChem
The data in this table is sourced from UniChem at EBI.